Experimental and theoretical studies of the VUV photoionization of chloropropylene oxide

The photoionization and dissociative photoionization of chloropropylene oxi de have been studied both experimentally and theoretically. In experiments, photoionization efficiency spectra for ions C3H5O+, CHO+, C2H4+, C2H3+, C2 H2+, CH3+, and CH2OH+ were obtained. Theoretically, the energetics of the d issociative photoionizations were examined by ab initio Gaussian-3 calculat ions. The computational results are useful in our attempt to establish the dissociative photoionization channels of chloropropylene oxide. These propo sed channels include six simple: bond cleavage reactions as well as a react ion involving intermediates and transition structures. The agreement betwee n experimental and computational dissociation energies or barriers ranges f rom fair to excellent.